4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine

C15H21NO — CID 116821079

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(Oc2ccc3c(c2)CCC3)CN1
InChIInChI=1S/C15H21NO/c1-15(2)9-14(10-16-15)17-13-7-6-11-4-3-5-12(11)8-13/h6-8,14,16H,3-5,9-10H2,1-2H3
InChIKeyUEKMVFYHEBRLSH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine

4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine (PubChem CID 116821079) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine
PubChem CID116821079
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(Oc2ccc3c(c2)CCC3)CN1
InChIInChI=1S/C15H21NO/c1-15(2)9-14(10-16-15)17-13-7-6-11-4-3-5-12(11)8-13/h6-8,14,16H,3-5,9-10H2,1-2H3
InChIKeyUEKMVFYHEBRLSH-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine (CID 116821079) is 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine is CC1(C)CC(Oc2ccc3c(c2)CCC3)CN1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine?
The InChIKey is UEKMVFYHEBRLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)9-14(10-16-15)17-13-7-6-11-4-3-5-12(11)8-13/h6-8,14,16H,3-5,9-10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine?
4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 116821079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).